SCHEMBL18565407

SCHEMBL18565407

Cn1c2cc(-c3ccc4c(c3)oc3ccccc34)ccc2c2cc3ccccc3cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
AHR P35869 2/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
MAOA P21397 1/20 0.38
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
ATM Q13315 1/20 0.37
GPR3 P46089 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18565411 0.93 HCRTR1 (0.42) HCRTR1RXRARXRBAHRNPC1
SCHEMBL18565369 0.88 RXRA (0.51) HCRTR1RXRARXRBAHRNPC1
SCHEMBL18566139 0.85 AHR (0.45) AHRNPC1RAB9AL3MBTL1MAPT
SCHEMBL18565377 0.84 GPR3 (0.48) HCRTR1RXRARXRBAHRNPC1
SCHEMBL22661392 0.84 GPR3 (0.55) RXRARXRBNPC1RAB9AL3MBTL1
SCHEMBL25681483 0.83 RXRA (0.47) RXRARXRBAHRNPC1RAB9A
SCHEMBL25681578 0.83 RXRA (0.47) RXRARXRBAHRNPC1RAB9A
SCHEMBL18565397 0.83 ALOX5 (0.38) HCRTR1AHRNPC1RAB9AMAPT
SCHEMBL18565434 0.83 L3MBTL1 (0.40) HCRTR1RXRARXRBAHRNPC1
SCHEMBL18565414 0.82 HCRTR1 (0.39) HCRTR1AHRNPC1RAB9AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-05-14 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device EED, BMI1, CD99 HCRTR1 4165/4885RXRA 4249/4885RXRB 4487/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 HCRTR1 4165/4885RXRA 4249/4885RXRB 4487/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.